5-tert-butyl-1,3-diethyl-2-isothiocyanato-benzene

Systemtic Name: 5-tert-butyl-1,3-diethyl-2-isothiocyanato-benzene Openeye Name: 5-tert-butyl-1,3-diethyl-2-isothiocyanato-benzene CAS Name: 5-tert-butyl-1,3-diethyl-2-isothiocyanatobenzene IUPAC Name: 5-tert-butyl-1,3-diethyl-2-isothiocyanatobenzene Traditional Name: 5-tert-butyl-1,3-diethyl-2-isothiocyanato-benzene Formula: C15H21NS MolecularWeight: 247.39894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1N=C=S)CC)C(C)(C)C

Isomeric SMILES

CCC1=CC(=CC(=C1N=C=S)CC)C(C)(C)C

InChI

InChI=1S/C15H21NS/c1-6-11-8-13(15(3,4)5)9-12(7-2)14(11)16-10-17/h8-9H,6-7H2,1-5H3